Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003936)

GC POSITIVE ION MODE (Analysis AN006479)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12	F13	F14	F15	F16	F17	F18
a-Hydroxyisobutyric acid	ME1044508	0.78	1.19	0.81	0.84	0.99	0.93	1.31	0.81	0.81	0.90	1.06	1.15	0.97	1.05	0.97	1.26	1.01	1.05
capric acid	ME1044514	1.11	0.99	1.11	0.90	0.96	0.87	1.68	0.81	0.63	1.25	1.13	1.09	0.93	0.89	0.90	1.09	0.98	0.97
2-Hydroxy-3-methylbutyric acid	ME1044498	1.15	0.90	1.10	0.93	0.96	0.96	1.48	0.77	0.66	1.08	1.15	1.11	0.80	0.89	0.95	1.10	0.97	0.91
Arabitol	ME1044510	1.23	0.84	1.08	1.20	0.91	0.95	0.18	1.33	0.66	1.18	1.00	0.92	0.90	0.95	1.00	0.69	1.37	1.06
3-indoleacetic acid	ME1044506	0.81	1.13	0.81	0.84	1.03	1.04	1.55	0.71	0.91	0.89	1.01	1.10	0.96	0.94	1.12	1.24	1.05	1.04
beta-hydroxyisovalerate	ME1044513	0.86	0.67	1.91	2.09	1.08	2.07	0.02	2.01	1.66	0.09	0.82	0.54	0.79	0.43	0.52	0.11	0.86	0.79
2-Hydroxybutyric acid	ME1044499	0.84	0.93	0.93	0.85	1.09	0.79	1.69	0.87	1.18	0.82	0.91	1.27	1.04	1.00	1.15	1.24	0.89	0.89
2-ketoisovaleric acid	ME1044503	0.81	1.11	0.80	0.80	0.99	1.04	1.45	0.55	0.97	0.93	1.14	1.25	0.80	0.94	0.89	1.53	0.91	0.99
2-Hydroxyvaleric acid	ME1044500	0.91	0.83	0.81	0.75	0.95	1.01	3.05	0.64	0.55	0.92	0.89	1.02	1.10	1.15	1.51	0.73	1.52	0.71
2-Keto-3-methylvaleric acid	ME1044501	0.91	0.83	0.85	0.67	0.98	0.71	1.83	0.53	0.73	0.67	1.24	1.34	0.81	0.94	0.88	1.58	0.63	1.60
1 monostearin	ME1044494	1.07	1.04	0.85	0.81	0.92	1.29	0.96	0.49	1.21	0.91	0.99	1.06	0.83	0.96	1.06	1.69	1.05	0.98
2,3-butanediol	ME1044497	0.95	0.95	0.64	0.90	1.34	1.00	NA	0.51	1.18	0.86	0.95	1.12	0.81	1.14	0.69	1.10	1.00	1.39
1-stearoyl-rac-glycerol	ME1044496	1.03	1.01	0.80	0.84	1.01	1.00	1.52	0.72	1.09	0.96	1.03	1.27	0.96	0.97	0.92	1.19	0.90	1.04
1-Monopalmitin	ME1044495	0.76	0.95	0.67	0.91	0.89	1.06	1.16	1.08	NA	0.64	1.27	1.14	0.84	1.28	0.78	1.31	0.78	0.96
2-Ketoisocaproic acid	ME1044502	1.04	0.78	0.94	1.08	0.78	0.83	0.43	1.09	1.12	1.52	0.85	1.04	1.48	1.13	1.10	1.12	1.13	0.88
caprylic acid	ME1044515	0.76	0.79	0.82	0.60	0.91	0.74	1.47	1.25	0.66	1.03	0.89	0.89	0.69	1.51	1.63	0.79	1.77	1.43
2-Stearoylglycerol	ME1044504	1.07	1.19	0.89	0.63	1.09	1.00	1.52	0.65	1.24	0.58	0.94	1.12	1.00	1.01	1.15	1.43	1.03	0.97
5-hydroxy-L-tryptophan	ME1044507	0.61	1.42	0.72	0.61	0.86	0.65	2.41	0.65	0.52	0.70	1.13	1.82	0.74	1.04	0.87	1.49	0.68	1.19
alpha ketoglutaric acid	ME1044509	0.86	1.15	1.03	0.84	1.07	0.97	0.91	0.74	0.78	0.86	0.94	0.89	1.00	1.26	1.16	1.16	1.01	1.04
3-Hydroxybutyric acid	ME1044505	0.55	0.59	0.79	0.53	1.01	0.87	0.94	1.78	0.65	0.58	0.77	0.96	0.50	0.78	2.62	1.10	2.41	1.16
aspartic acid	ME1044511	0.45	1.62	0.49	0.66	1.00	1.09	3.26	0.58	0.29	0.87	0.94	1.07	0.81	1.21	1.04	1.74	0.82	1.23
benzoic acid	ME1044512	1.07	0.99	0.78	0.88	1.07	0.97	1.25	0.42	0.80	1.45	0.96	1.28	0.87	0.95	1.05	1.16	0.86	1.11

Factors:

F1	Subtype:Basal like \| Stage:III \| Sample source:Plasma
F2	Subtype:Basal like \| Stage:II \| Sample source:Plasma
F3	Subtype:Basal like \| Stage:NA \| Sample source:Plasma
F4	Subtype:Control \| Stage:Control \| Sample source:Plasma
F5	Subtype:HER2 \| Stage:III \| Sample source:Plasma
F6	Subtype:HER2 \| Stage:II \| Sample source:Plasma
F7	Subtype:HER2 \| Stage:I \| Sample source:Plasma
F8	Subtype:HER2 \| Stage:IV \| Sample source:Plasma
F9	Subtype:HER2 \| Stage:NA \| Sample source:Plasma
F10	Subtype:Luminal A \| Stage:III \| Sample source:Plasma
F11	Subtype:Luminal A \| Stage:II \| Sample source:Plasma
F12	Subtype:Luminal A \| Stage:I \| Sample source:Plasma
F13	Subtype:Luminal A \| Stage:NA \| Sample source:Plasma
F14	Subtype:Luminal B \| Stage:III \| Sample source:Plasma
F15	Subtype:Luminal B \| Stage:II \| Sample source:Plasma
F16	Subtype:Luminal B \| Stage:I \| Sample source:Plasma
F17	Subtype:Luminal B \| Stage:IV \| Sample source:Plasma
F18	Subtype:Luminal B \| Stage:NA \| Sample source:Plasma

Data matrix